ChemSpider 2D Image | (2,6-Difluorophenyl){4-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}methanone | C21H22F2N6O

(2,6-Difluorophenyl){4-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}methanone

  • Molecular FormulaC21H22F2N6O
  • Average mass412.436 Da
  • Monoisotopic mass412.182312 Da
  • ChemSpider ID29428336

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2,6-Difluorophenyl){4-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(2,6-Difluorophényl){4-[6-(3,5-diméthyl-1H-pyrazol-1-yl)-2-méthyl-4-pyrimidinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
(2,6-Difluorphenyl){4-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (2,6-difluorophenyl)[4-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
(2,6-difluorophenyl)(4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)methanone
4-[4-(2,6-difluorobenzoyl)-1-piperazinyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.94
ACD/KOC (pH 5.5): 426.94
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.87
ACD/KOC (pH 7.4): 451.26
Polar Surface Area: 67 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 303.4±7.0 cm3

Click to predict properties on the Chemicalize site


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